⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL998693 | 0.79 | ATM (0.37) | — | |
| SCHEMBL196791 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL69777 | 0.74 | KMT2A (0.41) | — | |
| SCHEMBL1315590 | 0.72 | MAPT (0.42) | — | |
| SCHEMBL1278038 | 0.72 | — | — | |
| SCHEMBL1416238 | 0.71 | RAB9A (0.39) | — | |
| SCHEMBL1202297 | 0.71 | NPC1 (0.41) | — | |
| SCHEMBL10663421 | 0.71 | METAP2 (0.38) | — | |
| SCHEMBL1415919 | 0.71 | ENPP3 (0.41) | — | |
| SCHEMBL4781592 | 0.71 | MAPT (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | claimed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | claimed |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | claimed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | claimed |
| US-5116527-A | Liquid crystal mixture of two chiral components and one non-chiral componene | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-05-26 | — | — | US | claimed |
| US-5641427-A | FLUORINE-CONTAINING COMPOUND; HIGH CONTRAST, RESPONSE | CANON KABUSHIKI KAISHA (JP) | 1997-06-24 | — | — | US | disclosed |
| EP-0391986-B1 | DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |
| US-5116527-A | Liquid crystal mixture of two chiral components and one non-chiral componene | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-05-26 | — | — | US | disclosed |
| EP-0391986-A1 | DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT. | MERCK PATENT GMBH (DE) | 1990-10-17 | — | — | EP | disclosed |
| WO-1989011451-A1 | DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-11-30 | — | — | WO | disclosed |